3875-0177 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid

3875-0177 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid
3875-0177 Screening compound: 2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3875-0177
2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3875-0177

Molecular Formula

C12H14O6 (C12 H14 O6)

Compound Name

2-[(3,4-dimethoxyphenyl)methyl]propanedioic acid

IUPAC name

2-[(34-dimethoxyphenyl)methyl]propanedioic acid

SMILES

COc(ccc(CC(C(O)=O)C(O)=O)c1)c1OC

InChI

InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)

InChI Key

NQKOQSKMBSAXTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.698

Distribution Coefficient, logD

-3.824

Water Solubility, LogSw

-1.65

Polar Surface Area

72.316

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3875-0177 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
  • Nuclear receptors
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3875-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3875-0177?
Check Price and Availability of 3875-0177, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3875-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3875-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3875-0177
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3875-0177 available by request